el1:  Al
struct:  fcc
lp:  4.05
ecoh:  3.353
surf:  111
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -22.743747
ene1pa: -3.24910671429
esub: -3.353
sarea1:  7.10249084279
esurff1:  820.26692603  mJ/m^2
relaxed
ene2m: -22.804456
ene2mpa: -3.25777942857
sarea2:  7.10249084279
esurff2m:  751.793389569  mJ/m^2
